N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine

C20H21ClN2O — CID 78817732

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C20H21ClN2O/c1-14(2)20(16-6-4-3-5-7-16)23-13-19-22-12-18(24-19)15-8-10-17(21)11-9-15/h3-12,14,20,23H,13H2,1-2H3
InChIKeyLMQLUAJBQYHGNK-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.48
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 78817732) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID78817732
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C20H21ClN2O/c1-14(2)20(16-6-4-3-5-7-16)23-13-19-22-12-18(24-19)15-8-10-17(21)11-9-15/h3-12,14,20,23H,13H2,1-2H3
InChIKeyLMQLUAJBQYHGNK-UHFFFAOYSA-N
XLogP5.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817670
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
(1R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8863493
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
CID 75424220
N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 66159883
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863492
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 51226891

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine (CID 78817732) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is LMQLUAJBQYHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-14(2)20(16-6-4-3-5-7-16)23-13-19-22-12-18(24-19)15-8-10-17(21)11-9-15/h3-12,14,20,23H,13H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 340.85 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 78817732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).